4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine

C20H22N4 — CID 112915980

IUPAC4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)c2ccccc2)nc(NCc2ccccc2C)n1
InChIInChI=1S/C20H22N4/c1-15-9-7-8-10-17(15)14-21-20-22-16(2)13-19(23-20)24(3)18-11-5-4-6-12-18/h4-13H,14H2,1-3H3,(H,21,22,23)
InChIKeyBJFFNIVZPZYEFL-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.47
Rot. Bonds5

About 4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine

4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 112915980) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
PubChem CID112915980
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)c2ccccc2)nc(NCc2ccccc2C)n1
InChIInChI=1S/C20H22N4/c1-15-9-7-8-10-17(15)14-21-20-22-16(2)13-19(23-20)24(3)18-11-5-4-6-12-18/h4-13H,14H2,1-3H3,(H,21,22,23)
InChIKeyBJFFNIVZPZYEFL-UHFFFAOYSA-N
XLogP4.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(4-chlorophenyl)methyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112918107
2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 19754221
4-N-benzyl-4-N-ethyl-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915931
4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112691004
2-N-[2-(4-chlorophenyl)ethyl]-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112922674
2-N-(3,4-dimethylphenyl)-4-N,6-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112927480
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112915976
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112915922
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908483
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915986
6-methyl-4-N-[(2-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915782

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine (CID 112915980) is 4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine is Cc1cc(N(C)c2ccccc2)nc(NCc2ccccc2C)n1.
What is the InChIKey of 4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is BJFFNIVZPZYEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15-9-7-8-10-17(15)14-21-20-22-16(2)13-19(23-20)24(3)18-11-5-4-6-12-18/h4-13H,14H2,1-3H3,(H,21,22,23).
What are the key properties of 4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine?
4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112915980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).